Speaker
Prof.
Chin-Kun Hu
(Academica Sinica)
Description
In this talk, I briefly review some recent developments in
computing structures and properties of proteins in parallel
computers. The topics under discussion include:
- developments of algorithms and computer packages for all-atom simulations of proteins in parallel computers,
- parallel tempering simulations of HP-36
- development of algorithm to compute volume <emph>V</emph>, surface area <emph>A</emph>, and cavity of proteins by analytic equations in parallel computers,
- new force replica exchange method and protein folding pathways probed by force-clamp technique and related problems.
Primary author
Prof.
Chin-Kun Hu
(Academica Sinica)
